SCHEMBL19976909

SCHEMBL19976909

COC[C@H](C)N/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1[nH]nc2cncc(F)c12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
MAPK1 P28482 7/20 0.33
ROCK2 O75116 2/20 0.33
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NAMPT P43490 3/20 0.31
NR1H4 Q96RI1 1/20 0.31
VNN1 O95497 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19976759 0.93 LMNA (0.36) POLBMAPK1HPGDLMNAALDH1A1
SCHEMBL19976777 0.84 POLB (0.39) POLBMAPK1HPGDLMNANAMPT
SCHEMBL19976784 0.84 MAPK1 (0.38) POLBMAPK1NAMPT
SCHEMBL19976880 0.82 PDE10A (0.36) POLBMAPK1HPGDLMNANAMPT
SCHEMBL19976851 0.81 POLB (0.35) POLBMAPK1HPGDLMNAALDH1A1
SCHEMBL19976944 0.81 MAPK1 (0.36) POLBMAPK1HPGDLMNAALDH1A1
SCHEMBL19976739 0.80 HPGD (0.37) POLBMAPK1HPGDLMNAALDH1A1
SCHEMBL18558632 0.79 RAB9A (0.47) MAPK1ROCK2LMNARAB9A
SCHEMBL19362791 0.79 RAB9A (0.39) POLBMAPK1ROCK2LMNARAB9A
SCHEMBL19362794 0.79 RAB9A (0.47) ROCK2LMNAALDH1A1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed